%chk=000289509.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289509

0 1
O 5.153729 1.924898 -0.695974
O -4.296377 1.855426 0.189519
N 3.550307 1.238584 0.725682
N -1.425642 1.494974 0.422962
C 2.183347 -0.797965 0.247063
C 2.252968 0.577259 1.001879
C 0.798054 -1.467688 0.461577
C 2.418071 -0.525426 -1.254139
C 1.120032 1.575174 0.620005
C 3.271376 -1.734320 0.839086
C -0.332160 -0.514412 0.388812
C -0.173993 0.867841 0.492762
C 3.757524 0.157063 -1.532088
C 4.200901 1.180233 -0.512706
C -1.734135 -0.784086 0.248017
C 3.331790 -3.112829 0.187869
C -2.395877 0.489240 0.271095
C -2.501413 -1.964127 0.104652
C -3.810015 0.563377 0.150182
C -3.871334 -1.857932 -0.010440
C -4.540655 -0.601645 0.010381
C -5.729516 2.027021 0.070629
H 2.187342 0.380162 2.103842
H 0.775566 -1.973276 1.452106
H 0.660823 -2.278861 -0.283665
H 1.584647 0.093875 -1.644270
H 2.365350 -1.474374 -1.823332
H 1.366098 2.080825 -0.340988
H 1.071538 2.383685 1.376710
H 3.099656 -1.850344 1.927758
H 4.266527 -1.252710 0.753814
H 3.739397 0.645823 -2.530252
H 4.567553 -0.604099 -1.604148
H 3.865630 1.941564 1.393110
H -1.619584 2.476131 0.462199
H 2.413739 -3.688049 0.350948
H 3.491208 -3.045705 -0.894720
H 4.159736 -3.701503 0.601842
H -2.000683 -2.927004 0.088347
H -4.481582 -2.753722 -0.121912
H -5.620069 -0.587862 -0.084833
H -6.239561 1.536656 0.905028
H -6.076695 1.650846 -0.896204
H -5.832120 3.117783 0.130398


%chk=000289509-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289509

0 1
O 5.257187 1.959490 -0.689363
O -4.332263 1.909750 0.208143
N 3.561263 1.232954 0.710803
N -1.463381 1.460015 0.424998
C 2.200065 -0.806606 0.232001
C 2.257888 0.577701 0.972034
C 0.810388 -1.489932 0.450317
C 2.445257 -0.516756 -1.276059
C 1.107740 1.566961 0.584613
C 3.306457 -1.734608 0.833494
C -0.352600 -0.534918 0.387859
C -0.201403 0.846252 0.488998
C 3.811105 0.166253 -1.528481
C 4.255574 1.204427 -0.490757
C -1.771758 -0.807530 0.256354
C 3.408588 -3.139414 0.198847
C -2.433534 0.465856 0.280979
C -2.554012 -1.988717 0.114978
C -3.836780 0.590793 0.168485
C -3.949563 -1.860359 0.002135
C -4.598317 -0.587091 0.027027
C -5.781713 2.077127 0.087384
H 2.191706 0.382385 2.061391
H 0.818469 -2.009222 1.432888
H 0.689297 -2.288601 -0.308384
H 1.622418 0.118282 -1.654761
H 2.391639 -1.456898 -1.855761
H 1.368105 2.045878 -0.381772
H 1.075902 2.384852 1.333080
H 3.098947 -1.847220 1.918287
H 4.291937 -1.238779 0.764977
H 3.837092 0.664897 -2.513775
H 4.622248 -0.587920 -1.554948
H 3.903447 1.922542 1.386849
H -1.661151 2.457533 0.460996
H 2.469297 -3.711062 0.304062
H 3.655373 -3.087619 -0.877505
H 4.208213 -3.722273 0.691203
H -2.082850 -2.977094 0.094224
H -4.569324 -2.757273 -0.109060
H -5.687705 -0.542151 -0.064931
H -6.312543 1.571960 0.917493
H -6.149851 1.684519 -0.880317
H -5.955357 3.162121 0.139577


